HRID93700

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID3268011

tert-Butyl (2-aminocyclohexyl)carbamate

C11H22N2O2

结构：Cn1ccc2c(Nc3nc(On4nnc5ccccc54)ncc3C(N)=O)cccc21

HCID57472013

未命名化合物

PRODUCTS

生成物

结构：Cn1ccc2c(Nc3nc(NC4CCCCC4N)ncc3C(N)=O)cccc21

HCID178480101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9063426323fe4508a2cc614c84f75b57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[NH2:31][CH:32]1[CH:33]([NH:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:34][CH2:35][CH2:36][CH2:37]1.[n:1]1([O:2][c:11]2[n:12][cH:13][c:14]([C:28](=[O:29])[NH2:30])[c:15]([NH:17][c:18]3[c:19]4[cH:20][cH:21][n:22]([CH3:27])[c:23]4[cH:24][cH:25][cH:26]3)[n:16]2)[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[c:11]1([NH:38][CH:33]2[CH:32]([NH2:31])[CH2:37][CH2:36][CH2:35][CH2:34]2)[n:12][cH:13][c:14]([C:28](=[O:29])[NH2:30])[c:15]([NH:17][c:18]2[c:19]3[cH:20][cH:21][n:22]([CH3:27])[c:23]3[cH:24][cH:25][cH:26]2)[n:16]1